methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate

C11H16O2 — CID 121220543

IUPACmethyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
SMILESC=CC(=C)CC/C=C(\C)C(=O)OC
InChIInChI=1S/C11H16O2/c1-5-9(2)7-6-8-10(3)11(12)13-4/h5,8H,1-2,6-7H2,3-4H3/b10-8+
InChIKeyOHJYCFSTRMINHO-CSKARUKUSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds5

About methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate

methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate (PubChem CID 121220543) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate.

Molecular Properties

Compound Namemethyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
PubChem CID121220543
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
SMILESC=CC(=C)CC/C=C(\C)C(=O)OC
InChIInChI=1S/C11H16O2/c1-5-9(2)7-6-8-10(3)11(12)13-4/h5,8H,1-2,6-7H2,3-4H3/b10-8+
InChIKeyOHJYCFSTRMINHO-CSKARUKUSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688
methyl 2-methylhepta-2,6-dienoate
CID 54478570
methyl 8-bromo-2,6-dimethylocta-2,6-dienoate
CID 76842372
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl 5-amino-2-methylpent-2-enoate
CID 57069789
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
methyl (E)-2-methylhept-2-enoate
CID 13122847
methyl (2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoate
CID 6536858
methyl 2-methyloct-2-enoate
CID 71403822
methyl 2-methylidenehex-5-enoate
CID 12706152
[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 25184885

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate?
The IUPAC name of methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate (CID 121220543) is methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate.
What is the SMILES notation for methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate?
The canonical SMILES for methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate is C=CC(=C)CC/C=C(\C)C(=O)OC.
What is the InChIKey of methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate?
The InChIKey is OHJYCFSTRMINHO-CSKARUKUSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-9(2)7-6-8-10(3)11(12)13-4/h5,8H,1-2,6-7H2,3-4H3/b10-8+.
What are the key properties of methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate?
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate has a molecular weight of 180.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate is sourced from PubChem (CID 121220543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).